CID 11584489

115956-04-2

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CCOC(=O)CN1C2CC(CC1CC(C2)O)C(=O)OCC

InChI

InChI=1S/C15H25NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-13,17H,3-9H2,1-2H3

InChIKey

WCDRGGYHUBTALP-UHFFFAOYSA-N

Compound name

ethyl 9-(2-ethoxy-2-oxoethyl)-7-hydroxy-9-azabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 299.17328 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.180556	170.1
[M+Na]+	322.162498	173.5
[M-H]-	298.166004	168.8
[M+NH4]+	317.207103	184.8
[M+K]+	338.136438	172.2
[M+H-H2O]+	282.170540	163.5
[M+HCOO]-	344.171481	181.5
[M+CH3COO]-	358.187131	202.9
[M+Na-2H]-	320.147946	170.0
[M]+	299.17273142	170.0
[M]-	299.17382858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe